2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one

C5H10N4O — CID 22091016

IUPAC2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one
SMILESCNn1c(C)nn(C)c1=O
InChIInChI=1S/C5H10N4O/c1-4-7-8(3)5(10)9(4)6-2/h6H,1-3H3
InChIKeyQFIXLAZLDNBTAP-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.94
Rot. Bonds1

About 2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one

2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one (PubChem CID 22091016) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one
PubChem CID22091016
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one
SMILESCNn1c(C)nn(C)c1=O
InChIInChI=1S/C5H10N4O/c1-4-7-8(3)5(10)9(4)6-2/h6H,1-3H3
InChIKeyQFIXLAZLDNBTAP-UHFFFAOYSA-N
XLogP-0.94
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one?
The IUPAC name of 2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one (CID 22091016) is 2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one.
What is the SMILES notation for 2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one?
The canonical SMILES for 2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one is CNn1c(C)nn(C)c1=O.
What is the InChIKey of 2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one?
The InChIKey is QFIXLAZLDNBTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-4-7-8(3)5(10)9(4)6-2/h6H,1-3H3.
What are the key properties of 2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one?
2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one has a molecular weight of 142.16 g/mol, XLogP of -0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one is sourced from PubChem (CID 22091016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).